VirtualTaste

Natural Compounds

The taste of a selection of natural compounds was predicted using our taste prediction models. This dataset includes compounds that were predicted to either have a sweet (S) or bitter (B) taste. All of these compounds can be found in the Supernatural II Database and can be accessed through the Supernatural ID links.

Supernatural ID	SMILES	Taste	Confidence
SN00307258	c12c(c(=O)cc(o1)c1cc(c(c(c1)OC)OC)OC)c(cc(c2)OC)O	B	0.958000004
SN00307264	[C@H](CCCCCCCCCCCCCCCCCCCCCCCC)(CC)C	B	0.995999992
SN00307374	[C@H]12[C@@H]3C[C@H](CN1CC[C@@H](C2)O)[C@H]1N(C3)C=CC(=O)C1	B	0.953999996
SN00307414	c1([C@H](OCCCC)C)ccccc1	B	0.966000021
SN00307429	[C@H](Br)(Br)Cl	B	0.980000019
SN00307803	[C@@H]1([C@@H](C[C@H]2CC(=O)NC(=O)C2)O)C(=O)[C@H](C[C@@H](C1)C)C	B	0.958000004
SN00307994	[C@@H]1([C@@H]2OC(=O)[C@@H](C2)C)N(CCC1)CCCC[C@H]1OC(=O)[C@@H](C1)C	B	0.967999995
SN00308133	C(=O)(OC/C=C(\CC/C=C(/C)C)C)CCCC	B	0.991999984
SN00308165	[C@H](CCCCCCCC/C=C\CC/C=C\CC/C=C\CCCCCC)(CCCCC)O	B	0.966000021
SN00308172	C(=O)(CCCCCCCCCCCCCCCCCCCCC[C@@H](CCCCCCCCCC)O)OCCCCCCCCCC	B	0.981999993
SN00308188	C(=C(\CC/C=C(\C)C)C)\CC/C(=C\C=O)C	B	0.967999995
SN00308259	c12c(c(c(cc1OC)OC)OC)oc(cc2=O)c1ccccc1	B	0.981999993
SN00308410	[C@H](CCCCCCCCCCCCCCCCCCCCCCCCCC)(CCCCC)C	B	0.991999984
SN00308562	[S@](=O)(=O)(OCCCCC[C@H](CC)C)[O-]	B	0.966000021
SN00308809	[C@@]12([C@@H]([C@H]3[C@@H](CC2=O)[C@@]2([C@@H](CC3=O)CC(=O)CC2)C)CC[C@H]1[C@H](CCC(=O)C)C)C	B	0.952000022
SN00308833	c12c(oc3c(c1=O)cc(c(c3)OC)OC)cc(c(c2OC)OC)OC	B	0.972000003
SN00308930	C(/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CC/C(=C\CO)C)C)C)C)C)C/C=C(\CC/C=C(/CC/C=C(/CC/C=C(/CC/C=C(\C)C)C)C)C)C	B	0.953999996
SN00309003	C(=O)(C[C@@H](CC)C)OCC	B	0.976000011
SN00309071	C(=O)(C(=O)OC)[C@@H](C)C	B	0.966000021
SN00309205	[Te](C)C	B	0.99000001
SN00309206	[C@H](CCCCCCCCCCCCCC)(CCCCCCCCCCCCCC)O	B	0.991999984
SN00309248	[C@@H]12[C@H]([C@H](OC(=C2C)C=C)C)C[C@@H](C1=O)[C@H](C)C	B	0.953999996
SN00309309	[S@](=O)(=O)(OCCCCC[C@H](C)C)[O-]	B	0.959999979
SN00309359	C(=C\CCCCCC)\CCCCCCCCCCCCCCCCCC=O	B	0.962000012
SN00309424	[C@@H](OC)(OCCCCC)C	B	0.980000019

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